5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole
TL;DR: 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole (CAS 501005-41-0) is a chemical compound with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethoxy-1-pyridin-4-ylbenzotriazole
Also Known As: 5,6-dimethoxy-1-pyridin-4-ylbenzotriazole, 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole, 5,6-Dimethoxy-1-(pyridin-4-yl)-1H-benzotriazole
| Molecular Formula | C13H12N4O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.09604 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 501005-41-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)N=NN2C3=CC=NC=C3)OC |
| InChIKey | SBEXHYUDPZAGJK-UHFFFAOYSA-N |
Product Overview
5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole (CAS 501005-41-0), with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol. IUPAC: 5,6-dimethoxy-1-pyridin-4-ylbenzotriazole.
Chemical Property Profile of 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole
Property Insights of 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole. Following Lipinski's Rule of Five, 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole?
The CAS number of 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole is 501005-41-0.
What is the molecular formula of 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole?
The molecular formula of 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole is C13H12N4O2.
What is the molecular weight of 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole?
The molecular weight of 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole is 256.10 g/mol.
Where can I buy 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole?
You can request a quote for 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dimethoxy-1-(4-pyridinyl)-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.